methyl 3-[(5-chloro-2-pyrazol-1-ylphenyl)sulfamoyl]thiophene-2-carboxylate

C15H12ClN3O4S2 — CID 60534296

IUPACmethyl 3-[(5-chloro-2-pyrazol-1-ylphenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1cc(Cl)ccc1-n1cccn1
InChIInChI=1S/C15H12ClN3O4S2/c1-23-15(20)14-13(5-8-24-14)25(21,22)18-11-9-10(16)3-4-12(11)19-7-2-6-17-19/h2-9,18H,1H3
InChIKeyOGAUDVHVCPBJAR-UHFFFAOYSA-N
MW397.87 g/mol
LogP3.17
Rot. Bonds5

About methyl 3-[(5-chloro-2-pyrazol-1-ylphenyl)sulfamoyl]thiophene-2-carboxylate

methyl 3-[(5-chloro-2-pyrazol-1-ylphenyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 60534296) has the molecular formula C15H12ClN3O4S2 and a molecular weight of 397.87 g/mol. Its IUPAC name is methyl 3-[(5-chloro-2-pyrazol-1-ylphenyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(5-chloro-2-pyrazol-1-ylphenyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID60534296
Molecular FormulaC15H12ClN3O4S2
Molecular Weight397.87 g/mol
Exact Mass397.00
IUPAC Namemethyl 3-[(5-chloro-2-pyrazol-1-ylphenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1cc(Cl)ccc1-n1cccn1
InChIInChI=1S/C15H12ClN3O4S2/c1-23-15(20)14-13(5-8-24-14)25(21,22)18-11-9-10(16)3-4-12(11)19-7-2-6-17-19/h2-9,18H,1H3
InChIKeyOGAUDVHVCPBJAR-UHFFFAOYSA-N
XLogP3.17
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-[(2-chloro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate
CID 25041389
3-bromo-N-(5-chloro-2-pyrazol-1-ylphenyl)thiophene-2-carboxamide
CID 60793172
methyl 3-[(2,5-dichlorophenyl)sulfonylamino]thiophene-2-carboxylate
CID 1358389
methyl 3-[(2-iodophenyl)sulfamoyl]thiophene-2-carboxylate
CID 35857830
methyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]thiophene-2-carboxylate
CID 38890684
methyl 3-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylate
CID 61394313
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235705
methyl 3-[(5-amino-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylate
CID 43604954
methyl 3-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]thiophene-2-carboxylate
CID 5163836
methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate
CID 25044512
methyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate
CID 24621397
methyl 3-(1H-indazol-7-ylsulfamoyl)thiophene-2-carboxylate
CID 43047412

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-chloro-2-pyrazol-1-ylphenyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(5-chloro-2-pyrazol-1-ylphenyl)sulfamoyl]thiophene-2-carboxylate (CID 60534296) is methyl 3-[(5-chloro-2-pyrazol-1-ylphenyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(5-chloro-2-pyrazol-1-ylphenyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(5-chloro-2-pyrazol-1-ylphenyl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)Nc1cc(Cl)ccc1-n1cccn1.
What is the InChIKey of methyl 3-[(5-chloro-2-pyrazol-1-ylphenyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is OGAUDVHVCPBJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O4S2/c1-23-15(20)14-13(5-8-24-14)25(21,22)18-11-9-10(16)3-4-12(11)19-7-2-6-17-19/h2-9,18H,1H3.
What are the key properties of methyl 3-[(5-chloro-2-pyrazol-1-ylphenyl)sulfamoyl]thiophene-2-carboxylate?
methyl 3-[(5-chloro-2-pyrazol-1-ylphenyl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 397.87 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-chloro-2-pyrazol-1-ylphenyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 60534296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).